(E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol

C33H25ClO — CID 6380826

IUPAC(E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol
SMILESOC(/C(=C(\c1ccccc1)c1ccc(Cl)cc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H25ClO/c34-30-23-21-26(22-24-30)31(25-13-5-1-6-14-25)32(27-15-7-2-8-16-27)33(35,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24,35H/b32-31+
InChIKeyCXWQHWSAZDMFGY-QNEJGDQOSA-N
MW473.02 g/mol
LogP8.24
Rot. Bonds6

About (E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol

(E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol (PubChem CID 6380826) has the molecular formula C33H25ClO and a molecular weight of 473.02 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol
PubChem CID6380826
Molecular FormulaC33H25ClO
Molecular Weight473.02 g/mol
Exact Mass472.16
IUPAC Name(E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol
SMILESOC(/C(=C(\c1ccccc1)c1ccc(Cl)cc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H25ClO/c34-30-23-21-26(22-24-30)31(25-13-5-1-6-14-25)32(27-15-7-2-8-16-27)33(35,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24,35H/b32-31+
InChIKeyCXWQHWSAZDMFGY-QNEJGDQOSA-N
XLogP8.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.02
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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CID 6509575
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1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one
CID 43160394
1-chloro-4-tritylbenzene
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(4-chlorophenyl)-phenylmethanone dichloride
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dichloro(phenyl)methanol
CID 25493
3,3-bis(4-chlorophenyl)-2,2-difluoro-1-phenylbutan-1-one
CID 156695080
cesium;4-chlorobenzoic acid;fluoride
CID 175696882
1-chloro-4-[dichloro(phenyl)methyl]benzene
CID 11000180
2-amino-3-(4-chlorophenyl)-3-oxo-2-phenylpropanoic acid
CID 69400061
4-chloro(13C)benzoic acid
CID 66995527

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol?
The IUPAC name of (E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol (CID 6380826) is (E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol?
The canonical SMILES for (E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol is OC(/C(=C(\c1ccccc1)c1ccc(Cl)cc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol?
The InChIKey is CXWQHWSAZDMFGY-QNEJGDQOSA-N. The full InChI is InChI=1S/C33H25ClO/c34-30-23-21-26(22-24-30)31(25-13-5-1-6-14-25)32(27-15-7-2-8-16-27)33(35,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24,35H/b32-31+.
What are the key properties of (E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol?
(E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol has a molecular weight of 473.02 g/mol, XLogP of 8.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol is sourced from PubChem (CID 6380826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).